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Crystal structure of the E. COLI ammonia channel amtb complexed with the signal transduction protein glnk

Analyse Crystal structure of the E. COLI ammonia channel amtb complexed with the signal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2NS1
Type
protein
Length
517 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ammonia channel; Nitrogen regulatory protein P-II 2
UniProt
P69681, P0AC55
Ligands
ADP
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmmonia channelprotein40472% helix, 1% strandP69681
BNitrogen regulatory protein P-II 2protein11328% helix, 36% strandP0AC55

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains B
  • BOG · octyl beta-D-glucopyranoside · additive · 8 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12460.640.8232empty
21710.460.7525TRS
3750.360.7615ADP

Interfaces

1 interface between chains.

  • A–B · 532 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 2NS1 · Crystal structure of the e. coli ammonia channel AMTB complexed with the signal… · the same entry in another collection · chain A against A, TM-score 1.00
  • P69681 · AlphaFold monomer V2.0 prediction for ammonia channel (P69681) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P0AC55 · AlphaFold monomer V2.0 prediction for nitrogen regulatory protein P-II 2 (P0AC55) · a predicted model of the same protein · chain B against A, TM-score 0.95

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